Enniatin C (CHEBI:223003)

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CHEBI:223003 - Enniatin C

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ChEBI ID	CHEBI:223003
ChEBI Name	Enniatin C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C36H63N3O9
Net Charge	0
Average Mass	681.912
Monoisotopic Mass	681.45643
SMILES	CC(C)C[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N1C
InChI	InChI=1S/C36H63N3O9/c1-19(2)16-25-34(43)46-29(23(9)10)32(41)38(14)27(18-21(5)6)36(45)48-30(24(11)12)33(42)39(15)26(17-20(3)4)35(44)47-28(22(7)8)31(40)37(25)13/h19-30H,16-18H2,1-15H3/t25-,26-,27-,28+,29+,30+/m0/s1
InChIKey	WICJNWLMJRLFKQ-NHODMIADSA-N

Species of Metabolite	Component	Source	Comments
Verticillium (ncbitaxon:1036719)	-	PubMed (15712668)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Enniatin C (CHEBI:223003) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,9,15-tris(2-methylpropyl)-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

Manual Xrefs	Databases
2280010	ChemSpider